Compound Detail
CHEMBL299375
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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](CC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL299375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBNZLJJWYYYFRR-RBXAUKKZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
735.9
MW (Da)
6.79
ALogP
7
HBA
4
HBD
143.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 3.715 | nM | 8.43 | Binding affinity to HIV-1 protease | 8021917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021917 | 10.1021/jm00038a006 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine